3-[1-(propylamino)ethyl]benzenesulfonamide

C11H18N2O2S — CID 43506958

IUPAC3-[1-(propylamino)ethyl]benzenesulfonamide
SMILESCCCNC(C)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C11H18N2O2S/c1-3-7-13-9(2)10-5-4-6-11(8-10)16(12,14)15/h4-6,8-9,13H,3,7H2,1-2H3,(H2,12,14,15)
InChIKeyUMBZVYCHAYFEPZ-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.39
Rot. Bonds5

About 3-[1-(propylamino)ethyl]benzenesulfonamide

3-[1-(propylamino)ethyl]benzenesulfonamide (PubChem CID 43506958) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 3-[1-(propylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-(propylamino)ethyl]benzenesulfonamide
PubChem CID43506958
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name3-[1-(propylamino)ethyl]benzenesulfonamide
SMILESCCCNC(C)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C11H18N2O2S/c1-3-7-13-9(2)10-5-4-6-11(8-10)16(12,14)15/h4-6,8-9,13H,3,7H2,1-2H3,(H2,12,14,15)
InChIKeyUMBZVYCHAYFEPZ-UHFFFAOYSA-N
XLogP1.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2-sulfamoylethylamino)ethyl]benzenesulfonamide
CID 43777275
3-[1-(4-methylpentylamino)ethyl]benzenesulfonamide
CID 54913678
N-methyl-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506750
3-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]benzenesulfonamide
CID 62635028
N-propan-2-yl-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506700
3-[1-(3-methylsulfinylpropylamino)ethyl]benzenesulfonamide
CID 115898473
4-[1-(3-sulfamoylphenyl)ethylamino]butanoic acid
CID 60782795
3-[1-(3-cyclopropylpropylamino)ethyl]benzenesulfonamide
CID 115898656
3-[1-[(1-propylcyclopropyl)methylamino]ethyl]benzenesulfonamide
CID 103911381
3-[1-(2,2-diethoxyethylamino)ethyl]benzenesulfonamide
CID 79537992
3-[1-[3-(2-methylpropoxy)propylamino]ethyl]benzenesulfonamide
CID 43770073
3-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]benzenesulfonamide
CID 103910598

Frequently Asked Questions

What is the IUPAC name of 3-[1-(propylamino)ethyl]benzenesulfonamide?
The IUPAC name of 3-[1-(propylamino)ethyl]benzenesulfonamide (CID 43506958) is 3-[1-(propylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-[1-(propylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 3-[1-(propylamino)ethyl]benzenesulfonamide is CCCNC(C)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[1-(propylamino)ethyl]benzenesulfonamide?
The InChIKey is UMBZVYCHAYFEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-3-7-13-9(2)10-5-4-6-11(8-10)16(12,14)15/h4-6,8-9,13H,3,7H2,1-2H3,(H2,12,14,15).
What are the key properties of 3-[1-(propylamino)ethyl]benzenesulfonamide?
3-[1-(propylamino)ethyl]benzenesulfonamide has a molecular weight of 242.34 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(propylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 43506958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).